N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

C24H28N4O3S — CID 41166959

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 41166959) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
• PubChem CID: 41166959
• Molecular Formula: C24H28N4O3S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.19
• IUPAC Name: N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
• SMILES: CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2cccn2C)c1
• InChI: InChI=1S/C24H28N4O3S/c1-26-15-7-13-22(26)23-14-8-16-28(23)18-24(29)25-19-9-6-12-21(17-19)32(30,31)27(2)20-10-4-3-5-11-20/h3-7,9-13,15,17,23H,8,14,16,18H2,1-2H3,(H,25,29)/t23-/m0/s1
• InChIKey: MADZRRROGJBGFQ-QHCPKHFHSA-N
• XLogP: 3.63
• TPSA: 74.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?

The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 41166959) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?

The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2cccn2C)c1.

What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?

The InChIKey is MADZRRROGJBGFQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-26-15-7-13-22(26)23-14-8-16-28(23)18-24(29)25-19-9-6-12-21(17-19)32(30,31)27(2)20-10-4-3-5-11-20/h3-7,9-13,15,17,23H,8,14,16,18H2,1-2H3,(H,25,29)/t23-/m0/s1.

What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 41166959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).